SCHEMBL14596012

SCHEMBL14596012

CN(C)CCCNc1nc(CN(C)Cc2cc3ccccc3n2C)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAD52 P43351 4/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 3/20 0.47
▸ TOP2A P11388 2/20 0.47
▸ FLT3 P36888 8/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ APOBEC3A P31941 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14585319 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL4601686 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL14596013 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL13159086 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL14596040 0.80 ALDH1A1 (0.67) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL13159084 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL14596021 0.79 POLB (0.59) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL13159099 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL14596000 0.78 ALDH1A1 (0.59) ALDH1A1MAPK1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4506879 0.78 ALDH1A1 (0.65) ALDH1A1MAPK1RAD52KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 — — US disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 ALDH1A1 1994/4885MAPK1 2089/4885RAD52 954/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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